Vitas-M small molecule compound

ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK952757
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1cc(OC)ccc1O)/C#N

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H19ClN2O5S MW 482.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O5S/c1-3-32-24(30)21-19(14-4-6-17(25)7-5-14)13-33-23(21)27-22(29)16(12-26)10-15-11-18(31-2)8-9-20(15)28/h4-11,13,28H,3H2,1-2H3,(H,27,29)/b16-10+
InChIKey
IRXNIHTYAWBMOB-MHWRWJLKSA-N
Synonyms
380455-58-3
(E)ethyl4(4chlorophenyl)2(2cyano3(2hydroxy5methoxyphenyl)acrylamido)thiophene3carboxylate
380455583
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=C(C=CC(=C3)OC)O)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C(=Cc1cc(OC)ccc1O)C#N
ETHYL2((2E)2CYANO3(2HYDROXY5METHOXYPHENYL)PROP2ENOYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4chlorophenyl)2(((2E)2cyano3(2hydroxy5methoxyphenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL4(4CHLOROPHENYL)2(((E)2CYANO3(2HYDROXY5METHOXYPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC24H19ClN2O5Sc133224(30)2119(144617(25)7514)133323(21)2722(29)16(1226)10151118(312)8920(15)28h4111328H3H212H3(H2729)b1610+
MFCD02957204
ZINC000001453718
ZINC01453718
ZINC1453718

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.